COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK849893
Chemical Name: (2Z)-7-[(3,5-dimethylpiperidinium-1-yl)methyl]-2-(furan-2-ylmethylidene)-3-oxo-2,3-dihydro-1-benzofuran-6-olate
Smiles: CC1C[NH+](CC(C1)C)Cc1c([O-])ccc2c1O/C(=C\c1ccco1)/C2=O

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Molecular Weight: 353.42
Empirical Formula: C21H23NO4

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 4.111
Rotatable bonds: 3
H-donors: 1
H-acceptors: 4
PSA: 66
Number of rings: 4

     

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